General Information of the Compound
| Compound ID |
CP0958428
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| Compound Name |
2-ethyl-5-methyl-9-(2-methylpyridin-3-yl)-5,6-dihydrobenzo[c]pyrazolo[4,3-e]azepin-4(2H)-one
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| Structure |
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| Formula |
C20H20N4O
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| Molecular Weight |
332.407
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| Canonical SMILES |
CCn1cc2c(n1)C(=O)N(C)Cc1ccc(-c3cccnc3C)cc1-2
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| InChI |
InChI=1S/C20H20N4O/c1-4-24-12-18-17-10-14(16-6-5-9-21-13(16)2)7-8-15(17)11-23(3)20(25)19(18)22-24/h5-10,12H,4,11H2,1-3H3
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| InChIKey |
CXGMELZHEJKZMF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound